CID 3033324

Brn 0840150

Structural Information

Molecular Formula
C21H23FN2O
SMILES
CC/C(=C\N1CCN(CC1)C2=CC=CC=C2)/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O/c1-2-17(21(25)18-8-10-19(22)11-9-18)16-23-12-14-24(15-13-23)20-6-4-3-5-7-20/h3-11,16H,2,12-15H2,1H3/b17-16+
InChIKey
FHSBSJOLQALFOH-WUKNDPDISA-N
Compound name
(2E)-1-(4-fluorophenyl)-2-[(4-phenylpiperazin-1-yl)methylidene]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17944 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18672 182.9
[M+Na]+ 361.16866 186.5
[M-H]- 337.17216 186.9
[M+NH4]+ 356.21326 192.5
[M+K]+ 377.14260 180.2
[M+H-H2O]+ 321.17670 170.8
[M+HCOO]- 383.17764 196.6
[M+CH3COO]- 397.19329 211.6
[M+Na-2H]- 359.15411 182.2
[M]+ 338.17889 176.7
[M]- 338.17999 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.